SCHEMBL31725852

SCHEMBL31725852

COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1C#N)NC(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.58
KLK5 Q9Y337 1/20 0.49
CTSS P25774 12/20 0.49
CTSK P43235 10/20 0.49
CTSB P07858 4/20 0.49
CTSL P07711 1/20 0.49
YAP1 P46937 1/20 0.49
BCL2 P10415 1/20 0.47
MAOB P27338 1/20 0.46
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
REN P00797 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31725741 0.87 KLK5 (0.52) PTPN1KLK5CTSSCTSKCTSB
SCHEMBL31725930 0.87 KLK5 (0.52) PTPN1KLK5CTSSCTSKCTSB
SCHEMBL2209590 0.86 KLK5 (0.54) PTPN1KLK5CTSSCTSKCTSB
SCHEMBL16064419 0.86 PTPN1 (0.58) PTPN1KLK5CTSSCTSKCTSB
SCHEMBL31725783 0.86 KLK5 (0.52) PTPN1KLK5CTSSCTSKCTSB
SCHEMBL31725901 0.85 PTPN1 (0.43) PTPN1KLK5CTSSCTSKCTSB
SCHEMBL2212810 0.84 KLK5 (0.50) PTPN1KLK5CTSSCTSKCTSB
SCHEMBL31703918 0.84 PTPN1 (0.60) PTPN1KLK5CTSSCTSKCTSB
SCHEMBL31725789 0.83 CTSS (0.50) PTPN1KLK5CTSSCTSKCTSB
SCHEMBL2353801 0.82 KLK5 (0.59) PTPN1KLK5CTSSCTSKCTSB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025235719-A1 DIMERIC SMAC MIMETICS USEFUL IN HIV THERAPY VIIV HEALTHCARE COMPANY (US) 2025-11-13 WO disclosed